486460-12-2
N-BOC-4-BROMO-2,5-DIFLUORO-D-PHENYLALANINE METHYL ESTER
NameN-BOC-4-BROMO-2,5-DIFLUORO-D-PHENYLALANINE METHYL ESTER
FormulaC15 H18 Br F2 N O4
1Identification
【Name】
N-BOC-4-BROMO-2,5-DIFLUORO-D-PHENYLALANINE METHYL ESTER
【CAS】
【MDL】
MFCD17214551
【English Synonyms】
【Formula】
C15 H18 Br F2 N O4
【MolWeight】
394.21
【Inchi】
InChI=1S/C15H18BrF2NO4/c1-15(2,3)23-14(21)19-12(13(20)22-4)6-8-5-11(18)9(16)7-10(8)17/h5,7,12H,6H2,1-4H3,(H,19,21)/t12-/m1/s1
【InChIKey】
InChIKey=PMWMFBOSOHKSDX-GFCCVEGCSA-N
【SMILES】
CC(C)(C)OC(=O)N[C@H](Cc1cc(c(cc1F)Br)F)C(=O)OC
【MOL File】
N-BOC-4-BROMO-2,5-DI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-BOC-4-BROMO-2,5-DIFLUORO-D-PHENYLALANINE METHYL ESTER.cml